CID 22412819

C31H51N3Si — CID 22412819

IUPAC—
SMILESCCCCCCCc1ccc(-c2cncc([Si]CC(C)CCCCCC(C)CCCCC)n2)cn1
InChIInChI=1S/C31H51N3Si/c1-5-7-9-10-15-19-29-21-20-28(22-33-29)30-23-32-24-31(34-30)35-25-27(4)18-14-11-13-17-26(3)16-12-8-6-2/h20-24,26-27H,5-19,25H2,1-4H3
InChIKeyNHICUXSHCUMPLC-UHFFFAOYSA-N
MW493.86 g/mol
LogP8.60
Rot. Bonds20

About CID 22412819

CID 22412819 (PubChem CID 22412819) has the molecular formula C31H51N3Si and a molecular weight of 493.86 g/mol.

Molecular Properties

Compound NameCID 22412819
PubChem CID22412819
Molecular FormulaC31H51N3Si
Molecular Weight493.86 g/mol
Exact Mass493.39
IUPAC Name—
SMILESCCCCCCCc1ccc(-c2cncc([Si]CC(C)CCCCCC(C)CCCCC)n2)cn1
InChIInChI=1S/C31H51N3Si/c1-5-7-9-10-15-19-29-21-20-28(22-33-29)30-23-32-24-31(34-30)35-25-27(4)18-14-11-13-17-26(3)16-12-8-6-2/h20-24,26-27H,5-19,25H2,1-4H3
InChIKeyNHICUXSHCUMPLC-UHFFFAOYSA-N
XLogP8.60
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.86
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

CID 22412629
CID 22412629
CID 22412963
CID 22412963
CID 22413049
CID 22413049
2-decyl-5-[4-[(2R)-octan-2-yl]oxyphenyl]pyridine
CID 18632504
2-decyl-5-[4-(2-methylbutoxy)phenyl]pyridine
CID 19867178
2-hexyl-5-(4-pentylphenyl)pyridine
CID 86160726
4-[4-(6-heptyl-3-pyridinyl)phenyl]phenol
CID 18795249
5-nonyl-2-(6-nonyl-3-pyridinyl)pyrimidine
CID 139623761
2-[4-(7-methylnonyl)phenyl]-5-tridecylpyrimidine
CID 139803411
5-(7-methylnonyl)-2-(4-undecylphenyl)pyrimidine
CID 139803515
5-(9-methylundecyl)-2-(4-undecylphenyl)pyrimidine
CID 139803495
2-[4-(8-methyldecyl)phenyl]-5-octylpyrimidine
CID 139803510

Frequently Asked Questions

What is the IUPAC name of CID 22412819?
The IUPAC name of CID 22412819 (CID 22412819) is not available.
What is the SMILES notation for CID 22412819?
The canonical SMILES for CID 22412819 is CCCCCCCc1ccc(-c2cncc([Si]CC(C)CCCCCC(C)CCCCC)n2)cn1.
What is the InChIKey of CID 22412819?
The InChIKey is NHICUXSHCUMPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H51N3Si/c1-5-7-9-10-15-19-29-21-20-28(22-33-29)30-23-32-24-31(34-30)35-25-27(4)18-14-11-13-17-26(3)16-12-8-6-2/h20-24,26-27H,5-19,25H2,1-4H3.
What are the key properties of CID 22412819?
CID 22412819 has a molecular weight of 493.86 g/mol, XLogP of 8.60, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22412819 is sourced from PubChem (CID 22412819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).